2-(3,4-dimethylphenoxy)cyclobutan-1-ol

C12H16O2 — CID 164664143

IUPAC2-(3,4-dimethylphenoxy)cyclobutan-1-ol
SMILESCc1ccc(OC2CCC2O)cc1C
InChIInChI=1S/C12H16O2/c1-8-3-4-10(7-9(8)2)14-12-6-5-11(12)13/h3-4,7,11-13H,5-6H2,1-2H3
InChIKeyWLYAQKZETGQWBO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.21
Rot. Bonds2

About 2-(3,4-dimethylphenoxy)cyclobutan-1-ol

2-(3,4-dimethylphenoxy)cyclobutan-1-ol (PubChem CID 164664143) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)cyclobutan-1-ol
PubChem CID164664143
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(3,4-dimethylphenoxy)cyclobutan-1-ol
SMILESCc1ccc(OC2CCC2O)cc1C
InChIInChI=1S/C12H16O2/c1-8-3-4-10(7-9(8)2)14-12-6-5-11(12)13/h3-4,7,11-13H,5-6H2,1-2H3
InChIKeyWLYAQKZETGQWBO-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenoxy)cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexan-1-ol
CID 63472729
(3R,4R)-4-(3,4-dimethylphenoxy)-1-methylpiperidin-3-ol
CID 13186898
2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
trans-(1S,2S)-2-(4-bromo-3-methylphenoxy)cyclohexan-1-ol
CID 102732682
4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170256
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
CID 63472880
4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 63472705
[(3R,4R)-4-(3,4-dimethylphenoxy)pyrrolidin-3-yl] acetate
CID 70545504
3-(3,4-dimethylphenoxy)oxan-4-amine
CID 43608875
6-(3,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837059
3-(3-fluoro-4-methylphenoxy)oxan-4-ol
CID 107170261

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)cyclobutan-1-ol?
The IUPAC name of 2-(3,4-dimethylphenoxy)cyclobutan-1-ol (CID 164664143) is 2-(3,4-dimethylphenoxy)cyclobutan-1-ol.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)cyclobutan-1-ol?
The canonical SMILES for 2-(3,4-dimethylphenoxy)cyclobutan-1-ol is Cc1ccc(OC2CCC2O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)cyclobutan-1-ol?
The InChIKey is WLYAQKZETGQWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-3-4-10(7-9(8)2)14-12-6-5-11(12)13/h3-4,7,11-13H,5-6H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenoxy)cyclobutan-1-ol?
2-(3,4-dimethylphenoxy)cyclobutan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)cyclobutan-1-ol is sourced from PubChem (CID 164664143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).